Geometric ferroelectricity in rare-earth compounds R GaO3 and R InO3

Tetsuya Tohei, Hiroki Moriwake, Hidenobu Murata, Akihide Kuwabara, Ryo Hashimoto, Tomoyuki Yamamoto, Isao Tanaka

    Research output: Contribution to journalArticle

    28 Citations (Scopus)

    Abstract

    We have studied the stability and ferroelectric properties of hexagonal R GaO3 and R InO3 (R: rare-earth elements) by first-principles calculations. Computed spontaneous polarization in the series shows a systematic increase with the rare-earth elements, with values being larger in R InO3 than in the corresponding R GaO3. The largest polarization found is about 10μC/ cm2 for ErInO3, which is about twice as large as those observed in hexagonal R MnO3. The polarization can be further increased by applying in-plane compressive stress. The Born effective charges of constituent ions in the compounds are found to be similar to their formal values, implying that the ferroelectric displacements are merely driven by the ionic size effect. A transition to the high-symmetry phase at around 1500 K was confirmed in GdInO3 and DyInO3 by in situ high-temperature powder x-ray diffractometry. The present systems should belong to the family of geometric ferroelectrics.

    Original languageEnglish
    Article number144125
    JournalPhysical Review B - Condensed Matter and Materials Physics
    Volume79
    Issue number14
    DOIs
    Publication statusPublished - 2009 Apr 1

    Fingerprint

    Rare earth compounds
    Ferroelectricity
    rare earth compounds
    ferroelectricity
    Ferroelectric materials
    Polarization
    Rare earth elements
    polarization
    rare earth elements
    Compressive stress
    Powders
    Ions
    X rays
    symmetry
    ions
    x rays
    Temperature

    ASJC Scopus subject areas

    • Condensed Matter Physics
    • Electronic, Optical and Magnetic Materials

    Cite this

    Geometric ferroelectricity in rare-earth compounds R GaO3 and R InO3. / Tohei, Tetsuya; Moriwake, Hiroki; Murata, Hidenobu; Kuwabara, Akihide; Hashimoto, Ryo; Yamamoto, Tomoyuki; Tanaka, Isao.

    In: Physical Review B - Condensed Matter and Materials Physics, Vol. 79, No. 14, 144125, 01.04.2009.

    Research output: Contribution to journalArticle

    Tohei, Tetsuya ; Moriwake, Hiroki ; Murata, Hidenobu ; Kuwabara, Akihide ; Hashimoto, Ryo ; Yamamoto, Tomoyuki ; Tanaka, Isao. / Geometric ferroelectricity in rare-earth compounds R GaO3 and R InO3. In: Physical Review B - Condensed Matter and Materials Physics. 2009 ; Vol. 79, No. 14.
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    AU - Tohei, Tetsuya

    AU - Moriwake, Hiroki

    AU - Murata, Hidenobu

    AU - Kuwabara, Akihide

    AU - Hashimoto, Ryo

    AU - Yamamoto, Tomoyuki

    AU - Tanaka, Isao

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